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95333-97-4 | 3-(3,5-DICHLORO-PHENYL)-PROPIONALDEHYDE
CAS No: 95333-97-4 Catalog No: AG005S56 MDL No:
Product Description
Catalog Number:
AG005S56
Chemical Name:
3-(3,5-DICHLORO-PHENYL)-PROPIONALDEHYDE
CAS Number:
95333-97-4
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
IUPAC Name:
3-(3,5-dichlorophenyl)propanal
InChI:
InChI=1S/C9H8Cl2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h3-6H,1-2H2
InChI Key:
GJSMIWZLHQYITP-UHFFFAOYSA-N
SMILES:
O=CCCc1cc(Cl)cc(c1)Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.062g/mol
Monoisotopic Mass:
201.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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